8KGZ

Crystal structure of single-chain Fv antibody against antigen peptide from SARS-CoV2 S-spike protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-01-01
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	60.210, 77.753, 61.346
Unit cell angles	90.00, 112.25, 90.00

Refinement procedure

Resolution	55.790 - 2.210
R-factor	0.27129
Rwork	0.269
R-free	0.32114
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.930
Data reduction software	HKL-3000
Data scaling software	DIALS
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	77.750	2.270
High resolution limit [Å]	2.210	2.210
Number of reflections	179188	26361
<I/σ(I)>	4.1
Completeness [%]	100.0
Redundancy	6.5	6.4
CC(1/2)	0.882	0.882

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	25% PEG 3350, 0.1M HEPES pH7.5